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SMILES: NS(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1

InChI Key: InChIKey=AKLUFDPGZLGUIP-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50174040   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174040
PNG
(4-[(3-Phenyl-thioureido)-methyl]-benzenesulfonamid...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H15N3O2S2/c15-21(18,19)13-8-6-11(7-9-13)10-16-14(20)17-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,18,19)(H2,16,17,20)
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12n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174040
PNG
(4-[(3-Phenyl-thioureido)-methyl]-benzenesulfonamid...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H15N3O2S2/c15-21(18,19)13-8-6-11(7-9-13)10-16-14(20)17-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,18,19)(H2,16,17,20)
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18n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174040
PNG
(4-[(3-Phenyl-thioureido)-methyl]-benzenesulfonamid...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H15N3O2S2/c15-21(18,19)13-8-6-11(7-9-13)10-16-14(20)17-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,18,19)(H2,16,17,20)
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26n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174040
PNG
(4-[(3-Phenyl-thioureido)-methyl]-benzenesulfonamid...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H15N3O2S2/c15-21(18,19)13-8-6-11(7-9-13)10-16-14(20)17-12-4-2-1-3-5-12/h1-9H,10H2,(H2,15,18,19)(H2,16,17,20)
PDB
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NCI pathway
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
266n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair